1-(1-adamantyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H28N2O4S2 MolecularWeight: 436.58802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N2O4S2/c24-19(21-10-15-7-16(11-21)9-17(8-15)12-21)14-28-20-2-1-18(13-22-20)29(25,26)23-3-5-27-6-4-23/h1-2,13,15-17H,3-12,14H2